N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine

C25H21ClN4O2 — CID 6845161

IUPACN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine
SMILESClc1ccc(NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nn1
InChIInChI=1S/C25H21ClN4O2/c26-24-13-14-25(30-28-24)29-27-16-21-11-12-22(31-17-19-7-3-1-4-8-19)23(15-21)32-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,29,30)
InChIKeyCBTPHXAORJIKFJ-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.73
Rot. Bonds9

About N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine

N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine (PubChem CID 6845161) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine.

Molecular Properties

Compound NameN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine
PubChem CID6845161
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC NameN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine
SMILESClc1ccc(NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nn1
InChIInChI=1S/C25H21ClN4O2/c26-24-13-14-25(30-28-24)29-27-16-21-11-12-22(31-17-19-7-3-1-4-8-19)23(15-21)32-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,29,30)
InChIKeyCBTPHXAORJIKFJ-UHFFFAOYSA-N
XLogP5.73
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 6413627
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
CID 4117636
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitroaniline
CID 6186932
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 135518631
3-[(2E)-2-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136733363
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110507323

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine?
The IUPAC name of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine (CID 6845161) is N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine.
What is the SMILES notation for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine?
The canonical SMILES for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine is Clc1ccc(NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nn1.
What is the InChIKey of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine?
The InChIKey is CBTPHXAORJIKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c26-24-13-14-25(30-28-24)29-27-16-21-11-12-22(31-17-19-7-3-1-4-8-19)23(15-21)32-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,29,30).
What are the key properties of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine?
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine has a molecular weight of 444.92 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine is sourced from PubChem (CID 6845161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).